Molecule ID: mol17536
SMILES: O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1
InChI: InChI=1S/C26H32FN5O2/c27-11-20-34-25-6-2-1-5-24(25)31-18-16-30(17-19-31)14-4-3-12-29-26(33)22-7-9-23(10-8-22)32-15-13-28-21-32/h1-2,5-10,13,15,21H,3-4,11-12,14,16-20H2,(H,29,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.74 | Baltruschat ChEMBL | 1 » 0 |